Inorganic Chemistry Frontiers
·
2019
·Vol. 6
·期 11
·3133-3139
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IF 5.934
Ya-Ping Gong,Chun-Li Hu,Yun-Xiang Ma,Jiang-Gao Mao,Fang Kong
Two new halogenated selenites, namely, Pb2Cd(SeO3)2X2 (X = Cl and Br), were synthesized via mild hydrothermal reactions. The isomorphic compounds crystallized in a noncentrosymmetric (NCS) and chiral space group. Their three-dimensional (3D) structures were formed by alternating undulated [Pb2(SeO3)X]∞+ cationic layers and flattened [Cd(SeO3)X]∞− anionic layers. Thermal analyses revealed that the compounds can remain stable up to 500 °C. The SHG efficiencies of Pb2Cd(SeO3)2X2 (X = Cl and Br) are much higher than those of commercial KDP (KH2PO4), and they are phase-matchable. UV-vis-NIR diffuse reflectance spectra revealed that the two compounds exhibited wide optical band gaps. The laser damage thresholds of Pb2Cd(SeO3)2X2 (X = Cl and Br) were measured to be about 38.5 and 35.7 times higher than that of AGS (AgGaS2). Their calculated birefringences were large enough to accomplish phase matching in SHG progression. The SHG density analyses disclosed that the lone pair electrons of the SeO3 and PbOnXm units made major contributions to their nonlinear efficiencies.
研究领域:
材料科学
·
晶体学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2026
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IF 2.4
Jia Xu,Xun Wang,Jiazheng Qin,Ziwei Hu,Ruyi Lin,Yong Ma,Dan Li,Lingzong Meng
The solid–liquid phase equilibria of the quaternary system Na+, Cs+//Cl–, CO32––H2O and its subsystem Na2CO3–Cs2CO3–H2O at 308.15 K were studied by the isothermal dissolution method. The phase diagram of the system Na2CO3–Cs2CO3–H2O is composed of two single-salt crystallization fields of Na2CO3·H2O and Cs2CO3·H2O, two solubility univariant curves, and one invariant point. The dry-salt phase diagram of the quaternary system consists of three invariant points, seven univariant curves, and five crystallization regions corresponding to Na2CO3·H2O, NaCl, solid solution [Cs1–x(Na·H2O)x]Cl, Cs2CO3·H2O, and double salt CsCl·2NaCl·2H2O. The areas of crystallization zones decrease according to the above order. The Jan̈ecke index of H2O, pH, and refractive index of the liquid phase in the quaternary system change regularly with the Jan̈ecke index of Cs+. These results on the phase diagram of the quaternary system can supply theoretical references for cesium salt separation from carbonate-type brine.
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JOURNAL OF LUMINESCENCE
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2026
·
IF 3.8
Hongwei Xu,Yang Chen,Leilei Kuai,Chengjun Liu,Jianjun Zhao,Quan Liu,Bo Wei,Junpeng Xue,Zutao Fan
Metal halide perovskite nanocrystals (PNCs), particularly all-inorganic CsPbX 3 (X = Cl, Br, I), exhibit exceptional optoelectronic properties, positioning them as revolutionary materials for LEDs, displays, and photodetectors. However, their commercialization is impeded by environmental instability under moisture, heat, and light. To address this, we introduce a solvent-induced surface rheological engineering (SISRE) strategy to fabricate super-hydrophobic CsPbX 3 -PS composite membranes inspired by the lotus leaf effect. Key innovation lies in controlled spraying of a THF/ethanol mixture (3:1 v/v) onto the membrane surface. THF selectively dissolves surface PS to induce micro/nano hierarchical roughness, while ethanol triggers rapid polymer re-solidification. By modulating spray passes (5–15 cycles), we achieved tunable hydrophobicity with contact angles increasing from 70° to >140° (Cassie-Baxter state), while maintaining PLQY∼72% for CsPbBr 3 PNCs membrane. The optimized super-hydrophobic membrane (12 spray cycles) nearly exhibited a 2.7-fold enhancement in water stability (PLQY decay rate: 1.65%/day vs. 4.46%/day for untreated films). In addition, when applied as a down-conversion layer on blue LEDs (λ peak = 452 nm), the device achieved 111% NTSC color gamut coverage (98% Rec.2020) with CIE coordinates (0.328, 0.288) and CCT = 5722 K. This work provides a scalable, appliable route to concurrently enhance environmental stability and optoelectronic performance of PNCs.
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CHEMICAL ENGINEERING JOURNAL
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2026
·
IF 12.5
Jiechao Wang,Jiangdong Xu,Wangjian Cheng,Lei Gao,Yutong Wang,Huaiqian Liu,Qianqian He,Chongwei An,Chuanhao Xu
Introducing “0D” CDs as photosensitizers to enhance the laser responsiveness • Constructing photothermal conversion interface micro-units using hydrogen bonding • CDs regulate the pore size distribution of porous micro-units • Establishment of the ignition-combustion model and mechanistic elucidation Composite energetic micro-units are integrated energetic systems in which synergistic components and structural design enable functional coupling and controllable energy release, offering a crucial assembly strategy for efficient laser ignition of high-energy explosives. A key scientific challenge lies in constructing photosensitive micro-units with stable photothermal conversion interfaces and effective energy transfer pathways. In this work, CL-20 is used as the primary energy releasing component, while carbon dots (CDs) are innovatively introduced as photosensitive materials. Sodium alginate (SA) and polyvinyl alcohol (PVA) form the network framework to construct spherical composite energetic micro-units with a three-dimensional porous architecture. Characterization of chemical composition, morphology, and pore size distribution reveals that CDs induce the formation of intermolecular hydrogen bonds and the rearrangement of the hydrogen-bonding network between SA and PVA, which anchoring the boundaries of the 3D network, suppressing the formation of large pores (>50 μm), and enabling controlled regulation of pore size distribution. Laser ignition tests demonstrate that both ignition threshold and ignition delay decrease with increasing CDs content, reaching minima of 166.66 W·cm −2 and 35.4 ms, respectively, confirming the high photothermal conversion efficiency. Furthermore, increasing CDs content (1–9%) induces a pore-migration effect, where large pores gradually disappear and small pores (<50 μm) become dominant. This small porous structure shortens heat and mass transfer distances during combustion and enhances energy release efficiency. For instance, the combustion duration of sample C 7 (7% CDs) is 3.37 times shorter than that of C 1 (1% CDs). These findings provide valuable guidance and data support for the photosensitized design of composite energetic micro-units and for advancing the understanding of their laser ignition and combustion propagation characteristics in high-energy explosive systems.
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APPLIED SURFACE SCIENCE
·
2026
·
IF 6.6
Thanh Hai Pham,Do Ngoc Son,Viorel Chihaia
Inhibition efficiency follows MBTH-6-NH 2 ≪ MBTH < MBTH-6-Cl. • A new approach is proposed to evaluate anodic and cathodic inhibition efficiencies. • Adsorption energy alone cannot explain inhibition performance. • Organic inhibitor layers regulate interfacial reaction kinetics and surface electronic structure. By combining experimental techniques with density functional theory (DFT) calculations, we investigate the interfacial corrosion inhibition behavior of 2-mercaptobenzothiazole (MBTH) and its –NH 2 and –Cl substituted derivatives on Cu surfaces. The inhibition efficiencies follow the order MBTH-6-NH 2 < MBTH < MBTH-6-Cl. At 5 × 10 −4 M, MBTH and MBTH-6-Cl exhibit high efficiencies of 95.5% and 97.8%, respectively, whereas MBTH-6-NH 2 shows a lower efficiency of 76.3%. The formation and characteristics of inhibitor layers on copper are confirmed by SEM, AFM, ATR-FTIR, and contact angle measurements. DFT calculations reveal that the adsorption energies of the inhibitors on Cu (111) at various coverages do not correlate with the experimental efficiencies, indicating that adsorption strength alone cannot account for the inhibition mechanism. Instead, the efficiency trend is governed by the influence of inhibitor layers on interfacial electrochemical reactions. The MBTH-6-NH 2 -covered Cu (111) surface exhibits enhanced oxygen reduction activity due to stronger O 2 and H 2 O adsorption, facilitated by hydrogen bonding with the –NH 2 group. Moreover, the reduced work function and lower Cu escape energy promote interfacial charge transfer and copper dissolution. These results demonstrate that regulation of interfacial reaction kinetics and surface electronic structure by organic inhibitor layers is critical for copper corrosion inhibition. Download: Download high-res image (99KB) Download: Download full-size image
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MARINE POLLUTION BULLETIN
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2026
·
IF 4.9
Diyi Liu,Lu Liu,Ping Yin,Yan Tian,Jing Zhang
17β-Estradiol (E2), a typical endocrine-disrupting chemical, is widely detected in various aquatic environments, including rivers, lakes, groundwater, estuaries, and coastal waters, posing significant ecological and health risks. Photodegradation is a key pathway for the transformation and removal of E2 from aquatic systems. This study investigated the effects of dissolved organic matter (DOM) from different sources and common inorganic anions (Cl − and NO 3 − ) on E2 photodegradation under simulated solar irradiation. The results indicated that the excited triplet state of DOM ( 3 DOM*), generated upon light absorption, was the key reactive species driving E2 photodegradation. Among the DOM sources examined, humic acid exhibited the strongest promotive effect on E2 photodegradation. Correlation analysis confirmed that terrestrial humic-like components within seawater DOM were the primary contributors to 3 DOM* formation. Seawater DOM from nearshore areas exhibited higher steady-state concentrations of 3 DOM* owing to greater terrestrial input. Both Cl − and NO 3 − effectively accelerated E2 photodegradation, and the E2 degradation rate increased with their concentrations. In contrast, the coexistence of Cl − , NO 3 − , and DOM inhibited E2 photodegradation. In DOM-dominated systems, the main transformation pathways of E2 involved oxidation and hydrolysis reactions on the phenolic ring. This study elucidates the effects of DOM source and water chemical composition on E2 photodegradation, which is crucial for accurately predicting its environmental fate and ecological risks. Moreover, the findings provide valuable insights into the photochemical transformation of other emerging organic contaminants.
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ChemistrySelect
·
2026
·Vol. 11
·期 28
·e73876
·
IF 2.3
Tao Liu,Huichao Zhang,Bo Huang,Shitong Li,Bin Liu
Mn 2+ -doped perovskite nanocrystals (NCs) have attracted extensive research interest and have been synthesized with sizes in the strong confinement regime. Nevertheless, the size of the doped NCs is still not as small as that of undoped perovskite NCs. To address this, we develop a ligand-assisted reprecipitation method incorporating ultrasonication to synthesize Mn 2+ -doped CsPb(Cl/Br) 3 NCs. The obtained spherical NCs have an average size of 3.1 nm and exhibit orange photoluminescence originating from the 4 T 1 to 6 A 1 transition of Mn 2+ . The luminescent properties correlate with the volume ratio of MnCl 2 to PbBr 2 precursors. Increasing the ratio enhances the Mn 2+ -related emission, while excessive doping leads to photoluminescence quenching. When the precursor ratio is reduced to 1:1, the NCs exhibit both intrinsic exciton and Mn 2+ -related emission, with some particles adopting cubic or rod-like morphologies. Prolonged ultrasonic treatment does not significantly shift the emission peak of the NCs, but promotes superlattice assembly in small-sized NCs, showing a center-to-center separation of 4.2 nm. Subsequently, altering the precursor addition sequence to introduce MnCl 2 last during ultrasonic preparation yields simultaneous formation of spherical and cubic NCs. Finally, post-synthesis doping of Mn 2+ is achieved. Formation of small spherical NCs confirms hypothesis that MnCl 2 induces morphological transformation of NCs. Graphical Ultrasonication-assisted ligand-assisted reprecipitation delivers 3.1 nm Mn 2+ -doped CsPb(Cl/Br) 3 nanocrystals with orange emission from the Mn 2+ 4 T 1 → 6 A 1 transition.
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MICROCHIMICA ACTA
·
2026
·Vol. 193
·期 5
·306
·
IF 5.4
Zhu Yuchuan,Li Junhong,Yang Ruoxi,Bao Mingqiu,Hao Yakai,Chen Huijin,Yue Ruirui,Shu Jinbing,Duan Xuemin
A ternary nanocomposite, PEDOT:PSS/UiO-66-Cl@Ru, was successfully synthesized via a one-pot hydrothermal strategy for the ultrasensitive electrochemical detection of amaranth (AM) and Allura Red (AR). The conceptual advance of this work lies in the synergistic integration of halogen-induced intrinsic electroactivity, maximal atomic utilization of single-atom Ru, and the conductive bridging effect of PEDOT:PSS. This ternary design effectively overcomes the conductivity bottleneck of MOFs while delivering exceptional catalytic site density and enhanced interfacial stability. The resulting PEDOT:PSS/UiO-66-Cl@Ru platform delivered remarkable analytical performance, featuring wide linear ranges of 0.05–140 µM for AM and 0.07–50 µM for AR. The low limits of detection were 16.6 nM and 23.3 nM, with high sensitivities of 0.179 µA µM⁻¹ cm⁻² and 0.247 µA µM⁻¹ cm⁻² for AM and AR, respectively. Furthermore, the proposed sensor demonstrated excellent selectivity, reproducibility, and stability. Finally, the successful application of PEDOT:PSS/UiO-66-Cl@Ru in detecting AM and AR within beverage samples validates its practical utility for on-site food safety screening.
Section
Graphical abstract
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TALANTA
·
2025
·
IF 6.1
Liwu Gan,Xiaoying Feng,Suxin Zhou,Jinglin Chen,Juan Zheng,Gangfeng Ouyang
Functionalized metal organic framework (MOF) and covalent organic framework (COF) composites (MOF@COFs) with complementary advantages, hierarchical pores, pre-designable and tunable structures, are expected for remarkable adsorption of organic pollutants, yet to be explored. Herein, a kind of MOF@COF composite was synthesized by combining the parent MIL-68(In) and COF–V (10 %-MIL-68@COF–V), characterized with well-retained crystallinity and hierarchical pores. The parent materials and as-prepared MIL-68@COF-Vs were further fabricated as solid phase microextraction (SPME) coatings to study their extraction performance for Cl/Br-substituted organic pollutants. The 10 %-MIL-68@COF–V coated fiber exhibited the most outstanding enrichment performance for Cl/Br-substituted organic pollutants mainly due to the synthetic advantages, which was 1.1–196.5 times superior than that of the commercial PDMS coating. By combining it with gas chromatography-mass spectrometry (GC-MS), an ultrasensitive method was established, exhibiting wide linear ranges (1–5000 ng L −1 ), low LODs (0.17–0.29 ng L −1 ), and good reproducibility. The trace Cl/Br-substituted organic pollutants in marine water samples were successfully detected, verifying the practicability of the developed method in environmental monitoring.
研究领域:
环境科学
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材料科学
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Inorganic Chemistry Frontiers
·
2023
·Vol. 10
·期 11
·3319-3325
·
IF 7
Jing-Li Qi,Jiajing Wu,Yue Guo,Zhong-Ping Xu,Wenlong Liu,Sheng-Ping Guo
The emerging organic–inorganic hybrid metal halides feature unique optical and electronic properties, are easily grown and have flexible crystal structures, making them a class of promising next-generation nonlinear optical (NLO) and ferroelectric materials. Herein, we successfully synthesized two centimeter-level zero-dimensional copper halide organic–inorganic hybrids (C20H20P)CuX2 (X = Cl, Br) that are crystallized in the monoclinic noncentrosymmetric P21 space group. Their structures contain rare quasi-linear [CuX2]– anions and [C20H20P]+ cations. (C20H20P)CuCl2 and (C20H20P)CuBr2 crystals show phase-matchable NLO effects around 1.1 and 0.87 times that of benchmark KDP, respectively. These (C20H20P)CuX2 materials are the first NLO-active examples in the hybrid copper(I) halide family containing a quasi-linear CuX2 unit.
研究领域:
材料科学
·
光学
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ACS Applied Nano Materials
·
2025
·
IF 5.5
Zhifan Wang,Mengmeng Dai,Gang Yang,Xiao Zhang,Pengchao Shen,Chunxiang Zhao,Yongsheng Zhu
Perovskite nanocrystals have gained considerable attention owing to their outstanding photoluminescence and photodetection performance in various applications. However, the rigorous preparation conditions and lead toxicity of most lead halide perovskite nanocrystals still hamper practical application, which achieves efficient deep-red and near-infrared (NIR) emission also meeting the challenge. Herein, sub-25 nm Cl–-doped lead-free CsMnBr3 nanocrystals (NCs) were prepared via a moderate hot-injection method at room temperature and the resulting NCs showcased excellent photoluminescence property with reduced impurities. Furthermore, a substantial enhancement in photoluminescence quantum yield (PLQY) from 54.20% to 78.05% was achieved by manipulating the Cl– doping concentration, which is attributed to the weakened nonradiative recombination pathways induced by Cl–-mediated defect passivation. Consequently, we fabricated photoluminescent light-emitting diodes (LEDs) based on Cl–-doped CsMnBr3 nanocrystals and achieved NIR emissions of Nd3+, Yb3+, and Er3+ ions. These results reveal that Cl–-doped CsMnBr3 perovskites NCs can not only be facilely prepared via a simple room-temperature synthesis, but also demonstrate promising potential in various areas such as photoluminescent LEDs and near-infrared optoelectronic devices.
研究领域:
材料科学
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纳米技术
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光电子学
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光子学
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半导体物理
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COMBUSTION AND FLAME
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2025
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IF 6.2
Shubao Song,Lin Zhang,Meishuai Zou,Jiankun Shao
High-temperature gas-phase interactions between chlorine- and nitrogen-bearing species relevant to ammonium-perchlorate (AP) propellant combustion were elucidated by coupling shock-tube laser-absorption measurements with a detailed kinetic model. Time-resolved HCl concentration profiles were obtained for four argon-diluted surrogates—0.3 % NH 3 /0.3 % CCl 4 , 0.5 % NH 3 /0.3 % CCl 4 , 0.2 % NH 3 /0.2 % CCl 4 /0.2 % CH 4 , and 0.2 % NH 3 /0.2 % CCl 4 /0.2 % H 2 —over 1158–1506 K at near-atmospheric pressure. A kinetic model consisting of 164 species and 1358 reactions, assembled from state-of-the-art CCl 4 , H–Cl–O, NH 3 /C 0 –C 2 , and N–Cl sub-models, reproduced the new HCl data alongside literature ignition-delay and speciation measurements with excellent accuracy. Sensitivity and rate-of-production analyses reveal a temperature-robust control structure in which HCl forms almost entirely through Cl-atom abstraction from NH 3 , with Cl supplied by rapid CCl 4 dissociation; the barrierless Cl + H<=>HCl path dominates in H 2 -containing mixtures, whereas competition from Cl + CH 4 <=>CH 3 + HCl moderates HCl growth and channels carbon–nitrogen flux toward toxic HCN when CH 4 is present. Elevated temperature chiefly amplifies Cl production and suppresses NH 2 recombination, accelerating overall reactivity without altering the dominant pathways. The resulting benchmark HCl time-histories and rigorously validated model advance fundamental understanding of chlorine–nitrogen combustion chemistry and provide quantitative guidance for formulating halogenated energetic materials that maximise performance while limiting hazardous by-product formation. Importantly, the mechanism developed here may serve as a transferable gas-phase sub-model for future integration into comprehensive AP combustion frameworks, enabling more predictive simulations of real propellant systems.
研究领域:
燃烧化学
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推进剂化学
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反应动力学
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气体动力学
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环境化学
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能源材料
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